3-methyl-5-propan-2-yl-1,2,4-thiadiazole

C6H10N2S — CID 20605582

IUPAC3-methyl-5-propan-2-yl-1,2,4-thiadiazole
SMILESCc1nsc(C(C)C)n1
InChIInChI=1S/C6H10N2S/c1-4(2)6-7-5(3)8-9-6/h4H,1-3H3
InChIKeyJTCYCGMDQMUQRP-UHFFFAOYSA-N
MW142.23 g/mol
LogP1.97
Rot. Bonds1

About 3-methyl-5-propan-2-yl-1,2,4-thiadiazole

3-methyl-5-propan-2-yl-1,2,4-thiadiazole (PubChem CID 20605582) has the molecular formula C6H10N2S and a molecular weight of 142.23 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-1,2,4-thiadiazole
PubChem CID20605582
Molecular FormulaC6H10N2S
Molecular Weight142.23 g/mol
Exact Mass142.06
IUPAC Name3-methyl-5-propan-2-yl-1,2,4-thiadiazole
SMILESCc1nsc(C(C)C)n1
InChIInChI=1S/C6H10N2S/c1-4(2)6-7-5(3)8-9-6/h4H,1-3H3
InChIKeyJTCYCGMDQMUQRP-UHFFFAOYSA-N
XLogP1.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Propan-2-yl)-1,2,4-thiadiazol-5-amine
CID 581957
Dimethyl-1,2,4-thiadiazole
CID 13028086
5-Ethyl-1,2,4-thiadiazol-3-amine
CID 12246463
5-(Propan-2-yl)-1,2,4-thiadiazol-3-amine
CID 12246467
5-(Chloromethyl)-3-(propan-2-yl)-1,2,4-thiadiazole
CID 17832095
3-Tert-butyl-5-(chloromethyl)-1,2,4-thiadiazole
CID 57736306
5-(Chloromethyl)-3-ethyl-1,2,4-thiadiazole
CID 67258054
2-(3-Methyl-1,2,4-thiadiazol-5-yl)propan-2-amine
CID 86674740
3,5-Ditert-butyl-1,2,4-thiadiazole
CID 12846881
3,5-Diethyl-1,2,4-thiadiazole
CID 67571441
5-(Bromomethyl)-3-ethyl-1,2,4-thiadiazole
CID 165830947
5-Tert-butyl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 58432432

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-propan-2-yl-1,2,4-thiadiazole (CID 20605582) is 3-methyl-5-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-propan-2-yl-1,2,4-thiadiazole is Cc1nsc(C(C)C)n1.
What is the InChIKey of 3-methyl-5-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is JTCYCGMDQMUQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S/c1-4(2)6-7-5(3)8-9-6/h4H,1-3H3.
What are the key properties of 3-methyl-5-propan-2-yl-1,2,4-thiadiazole?
3-methyl-5-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 142.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 20605582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).